FERMI SURFACE NESTING AND PRE-MARTENSITIC SOFTENING IN V AND Nb AT HIGH PRESSURES
Journal Article
·
· Journal of Physics: Condensed Matter, vol. 18, no. 22, May 19, 2006, pp. 5079-5085
OSTI ID:891389
First-principles total-energy calculations were performed for the trigonal shear elastic constant (C{sub 44}) of vanadium and niobium. A mechanical instability in C{sub 44} is found for vanadium at pressures {approx} 2 Mbar which also shows softening in niobium at pressures {approx} 0.5 Mbar. We argue that the pressure-induced shear instability (softening) of vanadium (niobium) is due to the intraband nesting of the Fermi surface.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 891389
- Report Number(s):
- UCRL-JRNL-217872; TRN: US0605384
- Journal Information:
- Journal of Physics: Condensed Matter, vol. 18, no. 22, May 19, 2006, pp. 5079-5085, Journal Name: Journal of Physics: Condensed Matter, vol. 18, no. 22, May 19, 2006, pp. 5079-5085
- Country of Publication:
- United States
- Language:
- English
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